Information card for entry 7246790

Structure parameters

• Chemical name: [Cu(PPh2Et)2bcp(PF6)]
• Formula: C27 H23 Cu0.5 F3 N P1.5
• Calculated formula: C27 H23 Cu0.5 F3 N P1.5
• Title of publication: Structural change dynamics of heteroleptic Cu(I) complexes observed by ultrafast emission spectroscopy.
• Authors of publication: Sanga, Masashi; Nakamura, Kosuke; Iwamura, Munetaka; Nozaki, Koichi; Takeda, Hiroyuki; Monma, Yu; Ishitani, Osamu
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 15873 - 15884
• a: 19.756 ± 0.0004 Å
• b: 19.756 ± 0.0004 Å
• c: 20.2456 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6843.2 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No